Figure 7.

Core-set Markov model of the conformational dynamics of protonated holo-langerin.A, free energy surfaces from the 2D projections of protonated holo-langerin trajectories onto the first two time-independent components (tICs). Solid lines, transition regions between the five metastable states connected by the four slowest dynamic processes. B, projections of cluster G (green) and O (orange) into the space of the first two tICs. C, implied time scales of the core-set Markov model. The colors of the processes match the transition regions drawn into (A).